7CA0
Crystal structure of dihydroorotase in complex with 5-fluoroorotic acid from Saccharomyces cerevisiae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-02-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.471, 88.587, 103.572 |
Unit cell angles | 90.00, 95.28, 90.00 |
Refinement procedure
Resolution | 44.570 - 2.500 |
R-factor | 0.1974 |
Rwork | 0.195 |
R-free | 0.24590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6l0a |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.570 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 52440 | 5332 |
<I/σ(I)> | 8.2 | |
Completeness [%] | 98.0 | |
Redundancy | 2 | |
CC(1/2) | 0.997 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM imidazole malate pH 7, 16% PEG 4000 |